Molecule

ID:44080

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h2-5,13H,6H2,1H3,(H,12,14)
InChIKey
OUIFZEBNTZNFRW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2cc(CO)c(=O)[nH]c2cc1
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)cc(cc2)C)CO
Calculated Properties
JChem
Acid pKa
13.718355
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.225343
LogD (pH = 7.4)
1.2253429
Log P
1.2253431
Molar Refractivity
56.4522
Polarizability
20.37346
Polar Surface Area
49.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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